1-Bromo-3-dimethoxyphosphorylpropane

CAT: 0926-FB175625-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FB175625-01Size:100 mg

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CAS Number

177342-84-6

Smiles

COP (=O) (CCCBr) OC

Molecular Formula

C5H12BrO3P

Molecular Weight

231.02 g/mol

Controlled

Chemical Information

1-Bromo-3-dimethoxyphosphorylpropane

CAS Number	177342-84-6
PubChem CID	283499
IUPAC Name	1-bromo-3-dimethoxyphosphorylpropane
Molecular Formula	C5H12BrO3P
Molecular Weight	231.02
XLogP	0.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	120

SMILES

COP(=O)(CCCBr)OC

InChI

InChI=1S/C5H12BrO3P/c1-8-10(7,9-2)5-3-4-6/h3-5H2,1-2H3

InChIKey

XKITUVWHONUREI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 177342-84-6

CID: 283499

Formula: C5H12BrO3P

MW: 231.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.02
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	229.97074
Monoisotopic Mass	229.97074
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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